Structure of PDB 3git Chain E Binding Site BS02

Receptor Information
>3git Chain E (length=421) Species: 1525 (Moorella thermoacetica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKLDLPINFGPAFEGESIRKGDMYVEMGGNRTPAFELVRTVSESEITDGK
IEVIGPDIDQIPEGSKLPLGILVDIYGRKMQADFEGVLERRIHDFINYGE
GLWHTGQRNINWLRVSKDAVAKGFRFKNYGEILVAKMKEEFPAIVDRVQV
TIFTDEAKVKEYMEVAREKYKERDDRMRGLTDETVDTFYSCVLCQSFAPN
HVCIVTPERVGLCGAVSWLDAKASYEINHAGPNQPIPKEGEIDPIKGIWK
SVNDYLYTASNRNLEQVCLYTLMENPMTSCGCFEAIMAILPECNGIMITT
RDHAGMTPSGMTFSTLAGMIGGGTQTPGFMGIGRTYIVSKKFISADGGIA
RIVWMPKSLKDFLHDEVVRRSVEEGLGEDFIDKIADETIGTTVDEILPYL
EEKGHPALTMDPIMRSHTSRG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3git Chain E Residue 739 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3git Novel domain arrangement in the crystal structure of a truncated acetyl-CoA synthase from Moorella thermoacetica
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C509 C595 C597
Binding residue
(residue number reindexed from 1)		C194 C280 C282
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.169: CO-methylating acetyl-CoA synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
Biological Process
GO:0006084 acetyl-CoA metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3git, PDBe:3git, PDBj:3git
PDBsum3git
PubMed19650626
UniProtP27988|DCMA_MOOTH Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha

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